2-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[4-cyclohexyl-3-(2-thienylmethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[4-cyclohexyl-3-(2-thenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C20H31N5OS2 MolecularWeight: 421.62304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)CC2=CC=CS2)C3CCCCC3

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)CC2=CC=CS2)C3CCCCC3

InChI

InChI=1S/C20H31N5OS2/c1-3-11-21-19(26)14-23(2)15-24-20(27)25(16-8-5-4-6-9-16)18(22-24)13-17-10-7-12-28-17/h7,10,12,16H,3-6,8-9,11,13-15H2,1-2H3,(H,21,26)